0 B8R0.28 CC(=O)NCCC(=O)O T1373 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.28 CC(C)CCCC(C)N T0043 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.28 CC(C)CCCC(C)N T22389 [0,0,0,0,0,0|2,0,1]=3 3 B8R0.28 N=C(N)NCCC(=O)O T7535 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.28 NC(=O)NCCC(=O)O T4919 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.28 O=C(O)CCCC(=O)O T4794 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.4 CCCCCC(C)N T0359 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.4 NCCCCC(=O)O T5089 [1,0,0,0,0,0|1,0,0]=2 8 B9R0.1 COC(=O)CCCC(=O)O T4764 [0,1,0,0,0,0|1,0,1]=3 9 B9R0.7 CC(=O)OC[C@H](N)C(=O)O T4722 [0,1,0,0,0,0|2,0,1]=4 10 B9R0.7 CC(=O)OC[C@H](N)C(=O)O T8095 [0,1,0,0,0,0|2,0,1]=4 11 B9R0.7 CC(CCC(=O)O)C(=O)O T5063 [0,1,0,0,0,0|2,0,1]=4 12 B9R0.7 CC(CCC(=O)O)C(=O)O T5260 [0,1,0,0,0,0|2,0,1]=4 13 B9R0.7 CC(S)C(=O)NCC(=O)O T1630 [0,1,0,0,0,0|2,0,1]=4 14 B9R0.7 CS(=O)CCC(N)C(=O)O T19418 [0,1,0,0,0,0|2,0,0]=3 15 B9R0.7 CS(=O)CC[C@@H](N)C(=O)O T19264 [0,1,0,0,0,0|2,0,0]=3 16 B9R0.7 CS(=O)CC[C@H](N)C(=O)O T19397 [0,1,0,0,0,0|2,0,0]=3 17 B9R0.7 C[S+](C)CCC(N)C(=O)O T7908 [0,1,0,0,0,0|1,0,0]=2 18 B9R0.7 NC(=O)CCC(N)C(=O)O T0326 [0,1,0,0,0,0|2,0,1]=4 19 B9R0.7 NC(=O)CC[C@@H](N)C(=O)O T6468 [0,1,0,0,0,0|2,0,1]=4 20 B9R0.7 NC(=O)CC[C@H](N)C(=O)O T0326L [0,1,0,0,0,0|2,0,1]=4 21 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O T2A2497 [0,1,0,0,0,0|2,0,1]=4 22 B9R0.7 N[C@@H](CCC(=O)O)C(=O)[O-] T6871 [0,1,0,0,0,0|2,0,1]=4 23 B9R0.7 N[C@H](CCC(=O)O)C(=O)O T10935 [0,1,0,0,0,0|2,0,1]=4 24 B9R0.53 CC(CC(=O)O)CC(=O)O T4766 [0,1,0,0,0,0|2,0,1]=4 25 B9R0.53 O=C(O)CC(O)CC(=O)O TQ0024 [0,1,0,0,0,0|2,0,1]=4 26 B9R0.56 CC(=O)OCC[N+](C)(C)C T1221 [0,1,0,0,0,0|3,0,0]=4 27 B9R0.56 CC(=O)OCC[N+](C)(C)C T6751 [0,1,0,0,0,0|3,0,0]=4 28 B9R0.56 CC(N)CCCC(C)(C)O T0045 [0,1,0,0,0,0|2,0,1]=4 29 B9R0.56 C[N+](C)(C)CCCC(=O)O T4702 [0,1,0,0,0,0|1,0,0]=2 30 B9R0.56 C[N+](C)(C)NCCC(=O)[O-] T3268 [0,1,0,0,0,0|2,0,1]=4 31 B9R0.56 C[N+](C)(C)NCCC(=O)[O-] T6586 [0,1,0,0,0,0|2,0,1]=4 32 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 T2A2476 [0,0,0,1,0,0|2,0,0]=3 33 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 T4712 [0,0,0,1,0,0|2,0,0]=3 34 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 T0507 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.35 O=C1CC[C@H](C(=O)O)N1 T4814 [0,0,0,1,0,0|2,0,1]=4 36 B9R1.66 CC1(O)CCOC(=O)C1 T1353 [0,0,0,1,0,0|3,0,0]=4 37 B7R0.6 CC(=O)CCC(=O)O T5551 [0,0,0,0,1,0|1,0,1]=3 38 B7R0.6 CC(=O)NCC(=O)O T4822 [0,0,0,0,1,0|2,0,1]=4 39 B7R0.6 O=C(O)CCC(=O)O T2719 [0,0,0,0,1,0|2,0,1]=4 40 B7R0.6 O=C(O)CC[N+](=O)[O-] T3009 [0,0,0,0,1,0|3,0,0]=4 41 B9R0.55 CC(=O)NCCCC(=O)O T4728 [0,0,0,0,0,1|1,0,1]=3 42 B9R0.55 CN(C)CCCSC(=N)N T22724 [0,0,0,0,0,1|3,0,0]=4 43 B9R0.55 N=C(N)NCCCC(=O)O T4927 [0,0,0,0,0,1|2,0,1]=4 44 B9R0.55 O=C(O)CCCCC(=O)O T2228 [0,0,0,0,0,1|2,0,1]=4 45 B9R0.55 O=C(O)CCCCC(=O)O T7146 [0,0,0,0,0,1|2,0,1]=4 46 B6R0.4 C#CCCC(=O)O T0580 [2,0,0,0,0,0|0,0,2]=4 47 B6R0.4 CSCCC(=O)O T5285 [2,0,0,0,0,0|1,0,0]=3 48 B6R0.4 NCCCC(=O)O T0508 [2,0,0,0,0,0|1,0,0]=3 49 B6R0.6 COCCCCO T7022 [2,0,0,0,0,0|1,0,1]=4 50 B8R0.5 CCOC(=O)CC(=O)O T4773 [1,1,0,0,0,0|1,0,1]=4 51 B8R0.6 CCCCCC(O)CC TN1267 [1,1,0,0,0,0|1,0,1]=4 52 B8R0.7 CC(=O)NCCCCN T7508 [1,1,0,0,0,0|2,0,0]=4 53 B8R0.7 NCCCCCC(=O)O T0881 [1,1,0,0,0,0|0,0,0]=2 54 B8R0.8 CCCCC(O)C(=O)O T5224 [1,1,0,0,0,0|0,0,0]=2 55 B8R0.8 CCCC[C@H](N)C(=O)O T4765 [1,1,0,0,0,0|0,0,0]=2 56 B8R0.8 CSCCC(N)C(=O)O TJO2742 [1,1,0,0,0,0|1,0,0]=3 57 B8R0.8 CSCCC(O)C(=O)[O-] T5082 [1,1,0,0,0,0|1,0,1]=4 58 B8R0.8 CSCC[C@H](N)C(=O)O T4844 [1,1,0,0,0,0|1,0,0]=3 59 B8R0.8 C[Se]CCC(N)C(=O)O T1658 [1,1,0,0,0,0|1,0,0]=3 60 B8R0.8 C[Se]CC[C@H](N)C(=O)O T5372 [1,1,0,0,0,0|1,0,0]=3 61 B8R0.8 NCCC[C@@H](N)C(=O)O T0551 [1,1,0,0,0,0|1,0,0]=3 62 B8R0.8 NCCC[C@H](N)C(=O)O T0737 [1,1,0,0,0,0|1,0,0]=3 63 B8R0.8 NCCC[C@H](N)C(=O)O T2O2701 [1,1,0,0,0,0|1,0,0]=3 64 B8R0.9 C=CC(N)CCC(=O)O T0128 [1,1,0,0,0,0|0,0,2]=4 65 B8R0.9 NCC(=O)CCC(=O)O T1662 [1,1,0,0,0,0|1,0,1]=4 66 B8R0.23 CC(C)C(N)CC(=O)O T5569 [0,1,0,0,1,0|0,0,0]=2 67 B8R0.23 CC(C)CC(=O)C(=O)O T5071 [0,1,0,0,1,0|0,0,1]=3 68 B8R0.23 CC(C)CC(N)C(=O)O T4772 [0,1,0,0,1,0|0,0,0]=2 69 B8R0.23 CC(C)C[C@H](N)C(=O)O T3O2749 [0,1,0,0,1,0|0,0,0]=2 70 B8R0.23 CC(C)C[C@H](O)C(=O)O T5294 [0,1,0,0,1,0|0,0,0]=2 71 B10R0.15 C[N+](C)(C)CCCCC(=O)[O-] T19274 [0,1,0,0,0,1|1,0,1]=4 72 B10R0.96 CC(=O)CC(=O)CCC(=O)O T8273 [0,1,0,0,0,1|1,0,1]=4 73 B10R0.96 CC(C)CC(=O)NCC(=O)O T5245 [0,1,0,0,0,1|0,0,1]=3 74 B10R0.96 CN(C)NC(=O)CCC(=O)O T3719 [0,1,0,0,0,1|1,0,1]=4 75 B10R0.82 NCC(O)CCC(N)C(=O)O T4937 [0,2,0,0,0,0|1,0,0]=3 76 B10R0.31 C[N+](C)(C)CC(O)CC(=O)O T6475 [0,2,0,0,0,0|1,0,0]=3 77 B10R0.31 C[N+](C)(C)CC(O)CC(=O)[O-] T0743 [0,2,0,0,0,0|1,0,1]=4 78 B10R0.31 C[N+](C)(C)C[C@@H](O)CC(=O)O T2203 [0,2,0,0,0,0|1,0,0]=3 79 B10R0.31 C[N+](C)(C)C[C@H](O)CC(=O)[O-] T0846 [0,2,0,0,0,0|1,0,1]=4 80 B8R1.7 O=C(O)C1CSCN1 T0221 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.7 O=C(O)C1CSSC1 T10388 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.7 O=C(O)[C@@H]1CCCN1 T2O2683 [1,0,0,1,0,0|1,0,0]=3 83 B8R1.7 O=C(O)[C@@H]1CCCN1 TN1593 [1,0,0,1,0,0|1,0,0]=3 84 B8R1.7 O=C(O)[C@@H]1CSCN1 T4292 [1,0,0,1,0,0|2,0,0]=4 85 B8R1.7 O=C(O)[C@H]1CCCN1 T5302 [1,0,0,1,0,0|1,0,0]=3 86 B10R1.113 CC1=N[C@H](C(=O)O)CCN1 T4038 [0,0,0,1,0,1|1,0,1]=4 87 B10R1.113 CN1CCC=C(C(=O)O)C1 T5799 [0,0,0,1,0,1|1,0,1]=4 88 B10R1.113 CN1CCC=C(C(=O)O)C1 TN1398 [0,0,0,1,0,1|1,0,1]=4 89 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)O T3251 [0,0,0,1,0,1|1,0,0]=3 90 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)[O-] T23398 [0,0,0,1,0,1|1,0,1]=4 91 B10R1.128 C[N+]1(C)CCC[C@H]1C(=O)[O-] T5769 [0,0,0,1,0,1|1,0,1]=4 92 B10R1.13 C=C1C=CC(C(C)C)CC1 T5621 [0,1,0,1,0,0|2,0,0]=4 93 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 T8091 [0,1,0,1,0,0|1,0,0]=3 94 B6R0.2 CC(C)=CC(=O)O T5305 [0,0,0,0,2,0|0,0,2]=4 95 B6R0.2 CC(C)CC(=O)O T5609 [0,0,0,0,2,0|0,0,0]=2 96 B6R0.2 CC(C)CC(N)=O T0361 [0,0,0,0,2,0|1,0,0]=3 97 B6R0.2 CC(O)CC(=O)O T4947 [0,0,0,0,2,0|1,0,0]=3 98 B6R0.2 CN(C)CC(=O)O T4120 [0,0,0,0,2,0|1,0,0]=3 99 B6R0.2 C[C@@H](O)CC(=O)O T5248 [0,0,0,0,2,0|1,0,0]=3 100 B6R0.2 C[C@H](O)CC(=O)O T13979 [0,0,0,0,2,0|1,0,0]=3